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[ CAS No. 4270-27-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 4270-27-3
Chemical Structure| 4270-27-3
Structure of 4270-27-3 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 4270-27-3 ]

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Product Details of [ 4270-27-3 ]

CAS No. :4270-27-3 MDL No. :MFCD00014595
Formula : C4H3ClN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :PKUFNWPSFCOSLU-UHFFFAOYSA-N
M.W : 146.53 Pubchem ID :73272
Synonyms :
Chemical Name :6-Chloropyrimidine-2,4(1H,3H)-dione

Calculated chemistry of [ 4270-27-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 32.69
TPSA : 65.72 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.41 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.71
Log Po/w (XLOGP3) : -0.31
Log Po/w (WLOGP) : -0.28
Log Po/w (MLOGP) : -0.53
Log Po/w (SILICOS-IT) : 2.0
Consensus Log Po/w : 0.32

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.05
Solubility : 13.2 mg/ml ; 0.0898 mol/l
Class : Very soluble
Log S (Ali) : -0.61
Solubility : 36.0 mg/ml ; 0.246 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.06
Solubility : 1.27 mg/ml ; 0.00869 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.58

Safety of [ 4270-27-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 4270-27-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 4270-27-3 ]

[ 4270-27-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 4270-27-3 ]
  • [ 2456-81-7 ]
  • 4-(pyrrolidin-1-yl)-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-6-yl)pyridinium chloride [ No CAS ]
  • 2
  • [ 4270-27-3 ]
  • [ 85482-13-9 ]
  • C11H7Cl3N2O2 [ No CAS ]
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